Invited seminar
Author: Prof. Nuria López
Affiliation: Institut Català d’Investigació Química (ICIQ)
When: Tuesday, July 11, 2023 - 11:00 to 12:30
Where: Saló d'actes, Escola Superior de Tecnologia TD0301CC
Presented by: Dra. Elena Mas
Abstract: 
 In my talk I will review the role of simulations at the atomistic level to understand the most fundamental aspects of photo-electrocatalytic processes in the search of new materials for energy production and storage as fuels. I will cover aspects from the electronic structure of materials to complex reaction networks and dynamics of materials under true reaction conditions.
Biography: 
Núria López graduated in Chemistry (1999) in Theoretical Chemistry at the University of Barcelona, Spain. As a postdoctoral researcher, she joined the Center for Atomic-scale Materials Physics led by Prof. Jens K. Nørskov (Denmark). In 2005 she started her independent career at ICIQ. Her research group focuses on the theoretical research in heterogeneous photo-electro-catalysis. Prof. López was awarded an ERC Starting Grant (2010) and then a ERC Proof-of-concept (2015) by the European Research Council. She was awarded a “Prize for Excellence” by the Real Sociedad Española de Química in 2015. She has collaborated with several industries in Europe to leverage atomistic modelling, participated in 9 EU projects, and served in several committees in the European Union, including the most important supercomputing initiatives in Europe . Prof. López has an h impact of 71 (Scopus) and has also contributed to software development: Solvent contributions for VASP, Kinetic Monte-Carlo code, and the repository ioChem-BD, a computational catalysis database.